N-[3-[(1-hydroxycycloheptyl)methylamino]-3-oxopropyl]thiophene-2-carboxamide

C16H24N2O3S — CID 111428615

IUPACN-[3-[(1-hydroxycycloheptyl)methylamino]-3-oxopropyl]thiophene-2-carboxamide
SMILESO=C(CCNC(=O)c1cccs1)NCC1(O)CCCCCC1
InChIInChI=1S/C16H24N2O3S/c19-14(7-10-17-15(20)13-6-5-11-22-13)18-12-16(21)8-3-1-2-4-9-16/h5-6,11,21H,1-4,7-10,12H2,(H,17,20)(H,18,19)
InChIKeyCIKMNXFLXNJNPW-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.07
Rot. Bonds6

About N-[3-[(1-hydroxycycloheptyl)methylamino]-3-oxopropyl]thiophene-2-carboxamide

N-[3-[(1-hydroxycycloheptyl)methylamino]-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 111428615) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[3-[(1-hydroxycycloheptyl)methylamino]-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(1-hydroxycycloheptyl)methylamino]-3-oxopropyl]thiophene-2-carboxamide
PubChem CID111428615
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-[3-[(1-hydroxycycloheptyl)methylamino]-3-oxopropyl]thiophene-2-carboxamide
SMILESO=C(CCNC(=O)c1cccs1)NCC1(O)CCCCCC1
InChIInChI=1S/C16H24N2O3S/c19-14(7-10-17-15(20)13-6-5-11-22-13)18-12-16(21)8-3-1-2-4-9-16/h5-6,11,21H,1-4,7-10,12H2,(H,17,20)(H,18,19)
InChIKeyCIKMNXFLXNJNPW-UHFFFAOYSA-N
XLogP2.07
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-(1-hydroxycyclopentyl)acetyl]amino]propyl]thiophene-2-carboxamide
CID 111430825
N-[(1-hydroxycyclohexyl)methyl]-2-(thiophene-2-carbonyl)benzamide
CID 111446061
N-(3-amino-3-oxopropyl)thiophene-2-carboxamide
CID 43236649
2-[1-[3-(thiophene-2-carbonylamino)propanoylamino]cyclobutyl]acetic acid
CID 79844638
N-[(1-hydroxycyclopentyl)methyl]-6-thiophen-2-ylhexanamide
CID 111333038
N-[4-[(1-hydroxycyclohexyl)methylamino]-4-oxobutyl]benzamide
CID 111463218
N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 110416723
1-[methyl-[3-(thiophene-2-carbonylamino)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 120539260
N-[3-(2-bromoprop-2-enylamino)-3-oxopropyl]thiophene-2-carboxamide
CID 47439395
N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 115364345
N-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 104927828
N-[(1-ethylcyclobutyl)methyl]thiophene-2-carboxamide
CID 103741423

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-hydroxycycloheptyl)methylamino]-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[(1-hydroxycycloheptyl)methylamino]-3-oxopropyl]thiophene-2-carboxamide (CID 111428615) is N-[3-[(1-hydroxycycloheptyl)methylamino]-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(1-hydroxycycloheptyl)methylamino]-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[(1-hydroxycycloheptyl)methylamino]-3-oxopropyl]thiophene-2-carboxamide is O=C(CCNC(=O)c1cccs1)NCC1(O)CCCCCC1.
What is the InChIKey of N-[3-[(1-hydroxycycloheptyl)methylamino]-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is CIKMNXFLXNJNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c19-14(7-10-17-15(20)13-6-5-11-22-13)18-12-16(21)8-3-1-2-4-9-16/h5-6,11,21H,1-4,7-10,12H2,(H,17,20)(H,18,19).
What are the key properties of N-[3-[(1-hydroxycycloheptyl)methylamino]-3-oxopropyl]thiophene-2-carboxamide?
N-[3-[(1-hydroxycycloheptyl)methylamino]-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-hydroxycycloheptyl)methylamino]-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 111428615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).