2-(carbamoylamino)-N-[3-[5-(piperazine-1-carbonyl)thiophen-2-yl]phenyl]acetamide

C18H21N5O3S — CID 20755558

IUPAC2-(carbamoylamino)-N-[3-[5-(piperazine-1-carbonyl)thiophen-2-yl]phenyl]acetamide
SMILESNC(=O)NCC(=O)Nc1cccc(-c2ccc(C(=O)N3CCNCC3)s2)c1
InChIInChI=1S/C18H21N5O3S/c19-18(26)21-11-16(24)22-13-3-1-2-12(10-13)14-4-5-15(27-14)17(25)23-8-6-20-7-9-23/h1-5,10,20H,6-9,11H2,(H,22,24)(H3,19,21,26)
InChIKeyZFKPCXNRSVCTEZ-UHFFFAOYSA-N
MW387.47 g/mol
LogP1.07
Rot. Bonds5

About 2-(carbamoylamino)-N-[3-[5-(piperazine-1-carbonyl)thiophen-2-yl]phenyl]acetamide

2-(carbamoylamino)-N-[3-[5-(piperazine-1-carbonyl)thiophen-2-yl]phenyl]acetamide (PubChem CID 20755558) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[3-[5-(piperazine-1-carbonyl)thiophen-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[3-[5-(piperazine-1-carbonyl)thiophen-2-yl]phenyl]acetamide
PubChem CID20755558
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC Name2-(carbamoylamino)-N-[3-[5-(piperazine-1-carbonyl)thiophen-2-yl]phenyl]acetamide
SMILESNC(=O)NCC(=O)Nc1cccc(-c2ccc(C(=O)N3CCNCC3)s2)c1
InChIInChI=1S/C18H21N5O3S/c19-18(26)21-11-16(24)22-13-3-1-2-12(10-13)14-4-5-15(27-14)17(25)23-8-6-20-7-9-23/h1-5,10,20H,6-9,11H2,(H,22,24)(H3,19,21,26)
InChIKeyZFKPCXNRSVCTEZ-UHFFFAOYSA-N
XLogP1.07
TPSA116.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]-piperazin-1-ylmethanone
CID 119402846
N-[3-(piperazine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119402184
1-phenyl-3-[5-(piperazine-1-carbonyl)thiophen-2-yl]urea
CID 119401684
5-(3-piperazin-1-ylphenyl)-N-propan-2-ylthiophene-2-carboxamide
CID 72842682
[5-(3-chlorophenyl)-4-methylthiophen-2-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119400371
N-[4-[5-(piperidine-1-carbonyl)thiophen-2-yl]phenyl]benzamide
CID 70036807
3-(carbamoylamino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120813798
N-[3-[[2-(5-amino-2-pyridinyl)acetyl]amino]phenyl]piperazine-1-carboxamide
CID 167809482
piperazin-1-yl-(3-thiophen-2-ylphenyl)methanone
CID 39371882
1-(3-chlorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea
CID 61176836
3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide
CID 62839609
2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 36817650

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[3-[5-(piperazine-1-carbonyl)thiophen-2-yl]phenyl]acetamide?
The IUPAC name of 2-(carbamoylamino)-N-[3-[5-(piperazine-1-carbonyl)thiophen-2-yl]phenyl]acetamide (CID 20755558) is 2-(carbamoylamino)-N-[3-[5-(piperazine-1-carbonyl)thiophen-2-yl]phenyl]acetamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[3-[5-(piperazine-1-carbonyl)thiophen-2-yl]phenyl]acetamide?
The canonical SMILES for 2-(carbamoylamino)-N-[3-[5-(piperazine-1-carbonyl)thiophen-2-yl]phenyl]acetamide is NC(=O)NCC(=O)Nc1cccc(-c2ccc(C(=O)N3CCNCC3)s2)c1.
What is the InChIKey of 2-(carbamoylamino)-N-[3-[5-(piperazine-1-carbonyl)thiophen-2-yl]phenyl]acetamide?
The InChIKey is ZFKPCXNRSVCTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c19-18(26)21-11-16(24)22-13-3-1-2-12(10-13)14-4-5-15(27-14)17(25)23-8-6-20-7-9-23/h1-5,10,20H,6-9,11H2,(H,22,24)(H3,19,21,26).
What are the key properties of 2-(carbamoylamino)-N-[3-[5-(piperazine-1-carbonyl)thiophen-2-yl]phenyl]acetamide?
2-(carbamoylamino)-N-[3-[5-(piperazine-1-carbonyl)thiophen-2-yl]phenyl]acetamide has a molecular weight of 387.47 g/mol, XLogP of 1.07, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[3-[5-(piperazine-1-carbonyl)thiophen-2-yl]phenyl]acetamide is sourced from PubChem (CID 20755558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).