2-(carbamoylamino)-6-[5-(methylaminomethyl)thiophen-2-yl]-1H-indole-3-carboxamide

C16H17N5O2S — CID 24989427

IUPAC2-(carbamoylamino)-6-[5-(methylaminomethyl)thiophen-2-yl]-1H-indole-3-carboxamide
SMILESCNCc1ccc(-c2ccc3c(C(N)=O)c(NC(N)=O)[nH]c3c2)s1
InChIInChI=1S/C16H17N5O2S/c1-19-7-9-3-5-12(24-9)8-2-4-10-11(6-8)20-15(21-16(18)23)13(10)14(17)22/h2-6,19-20H,7H2,1H3,(H2,17,22)(H3,18,21,23)
InChIKeyFYJVIMQNNSFDKF-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.21
Rot. Bonds5

About 2-(carbamoylamino)-6-[5-(methylaminomethyl)thiophen-2-yl]-1H-indole-3-carboxamide

2-(carbamoylamino)-6-[5-(methylaminomethyl)thiophen-2-yl]-1H-indole-3-carboxamide (PubChem CID 24989427) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-(carbamoylamino)-6-[5-(methylaminomethyl)thiophen-2-yl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-6-[5-(methylaminomethyl)thiophen-2-yl]-1H-indole-3-carboxamide
PubChem CID24989427
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name2-(carbamoylamino)-6-[5-(methylaminomethyl)thiophen-2-yl]-1H-indole-3-carboxamide
SMILESCNCc1ccc(-c2ccc3c(C(N)=O)c(NC(N)=O)[nH]c3c2)s1
InChIInChI=1S/C16H17N5O2S/c1-19-7-9-3-5-12(24-9)8-2-4-10-11(6-8)20-15(21-16(18)23)13(10)14(17)22/h2-6,19-20H,7H2,1H3,(H2,17,22)(H3,18,21,23)
InChIKeyFYJVIMQNNSFDKF-UHFFFAOYSA-N
XLogP2.21
TPSA126.03 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-6-[5-(methylaminomethyl)thiophen-2-yl]-1H-indole-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-6-[5-(methylaminomethyl)thiophen-2-yl]-1H-indole-3-carboxamide (CID 24989427) is 2-(carbamoylamino)-6-[5-(methylaminomethyl)thiophen-2-yl]-1H-indole-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-6-[5-(methylaminomethyl)thiophen-2-yl]-1H-indole-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-6-[5-(methylaminomethyl)thiophen-2-yl]-1H-indole-3-carboxamide is CNCc1ccc(-c2ccc3c(C(N)=O)c(NC(N)=O)[nH]c3c2)s1.
What is the InChIKey of 2-(carbamoylamino)-6-[5-(methylaminomethyl)thiophen-2-yl]-1H-indole-3-carboxamide?
The InChIKey is FYJVIMQNNSFDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-19-7-9-3-5-12(24-9)8-2-4-10-11(6-8)20-15(21-16(18)23)13(10)14(17)22/h2-6,19-20H,7H2,1H3,(H2,17,22)(H3,18,21,23).
What are the key properties of 2-(carbamoylamino)-6-[5-(methylaminomethyl)thiophen-2-yl]-1H-indole-3-carboxamide?
2-(carbamoylamino)-6-[5-(methylaminomethyl)thiophen-2-yl]-1H-indole-3-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 2.21, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-6-[5-(methylaminomethyl)thiophen-2-yl]-1H-indole-3-carboxamide is sourced from PubChem (CID 24989427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).